N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide

C15H17BrN6O2 — CID 172901024

IUPACN-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESCOc1nc(N2CCC(NC(=O)c3cnccn3)CC2)ncc1Br
InChIInChI=1S/C15H17BrN6O2/c1-24-14-11(16)8-19-15(21-14)22-6-2-10(3-7-22)20-13(23)12-9-17-4-5-18-12/h4-5,8-10H,2-3,6-7H2,1H3,(H,20,23)
InChIKeyHORNTWPNZCOXLR-UHFFFAOYSA-N
MW393.25 g/mol
LogP1.44
Rot. Bonds4

About N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide

N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 172901024) has the molecular formula C15H17BrN6O2 and a molecular weight of 393.25 g/mol. Its IUPAC name is N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide
PubChem CID172901024
Molecular FormulaC15H17BrN6O2
Molecular Weight393.25 g/mol
Exact Mass392.06
IUPAC NameN-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESCOc1nc(N2CCC(NC(=O)c3cnccn3)CC2)ncc1Br
InChIInChI=1S/C15H17BrN6O2/c1-24-14-11(16)8-19-15(21-14)22-6-2-10(3-7-22)20-13(23)12-9-17-4-5-18-12/h4-5,8-10H,2-3,6-7H2,1H3,(H,20,23)
InChIKeyHORNTWPNZCOXLR-UHFFFAOYSA-N
XLogP1.44
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175649555
methyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
CID 110821817
N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171994017
2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431724
N-(1-quinoxalin-2-ylpiperidin-4-yl)pyrazine-2-carboxamide
CID 172903561
1-(5-bromo-4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 171690356
1-(5-bromo-4-methoxypyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 171992933
[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanol
CID 103726655
5-bromo-4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 103746059
2-methylpropyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
CID 108562616
5-bromo-4-methoxy-2-pyrrolidin-1-ylpyrimidine
CID 103726579
4-methoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821265

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide (CID 172901024) is N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide is COc1nc(N2CCC(NC(=O)c3cnccn3)CC2)ncc1Br.
What is the InChIKey of N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is HORNTWPNZCOXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN6O2/c1-24-14-11(16)8-19-15(21-14)22-6-2-10(3-7-22)20-13(23)12-9-17-4-5-18-12/h4-5,8-10H,2-3,6-7H2,1H3,(H,20,23).
What are the key properties of N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide?
N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 393.25 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 172901024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).